Drug Information

Drug General Information
Drug ID
D01AFH
Former ID
DNC007257
Drug Name
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenoxyethanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527307]
Formula
C14H11NO6
Canonical SMILES
C1=CC=C(C=C1)OCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
InChI
1S/C14H11NO6/c16-12-7-9(6-11(14(12)18)15(19)20)13(17)8-21-10-4-2-1-3-5-10/h1-7,16,18H,8H2
InChIKey
JFIYNCBDNTXFDN-UHFFFAOYSA-N
PubChem Compound ID
9900598
Target and Pathway
Target(s) Catechol-O-methyl-transferase Target Info Inhibitor [527307]
BioCyc Pathway L-dopa degradation
Dopamine degradation
Noradrenaline and adrenaline degradation
KEGG Pathway Steroid hormone biosynthesis
Tyrosine metabolism
Metabolic pathways
Dopaminergic synapse
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Dopamine receptor mediated signaling pathway
PathWhiz Pathway Tyrosine Metabolism
WikiPathways Methylation Pathways
Metapathway biotransformation
Estrogen metabolism
Biogenic Amine Synthesis
Dopamine metabolism
Phase II conjugation
Neurotransmitter Clearance In The Synaptic Cleft
References
Ref 527307J Med Chem. 2004 Dec 2;47(25):6207-17.Synthesis, biological evaluation, and molecular modeling studies of a novel, peripherally selective inhibitor of catechol-O-methyltransferase.
Ref 527307J Med Chem. 2004 Dec 2;47(25):6207-17.Synthesis, biological evaluation, and molecular modeling studies of a novel, peripherally selective inhibitor of catechol-O-methyltransferase.

If you find any error in data or bug in web service, please kindly report it to Dr. Tang and Dr. Mou.